SCHEMBL6963095

SCHEMBL6963095

CCCCCCCCC(=O)Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 19/20 0.52
CYSLTR1 Q9Y271 19/20 0.52
GPR35 Q9HC97 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6955330 1.00 CYSLTR2 (0.52) CYSLTR2CYSLTR1GPR35
SCHEMBL6961403 0.89 GPR35 (0.58) CYSLTR2CYSLTR1GPR35
SCHEMBL6957075 0.88 CYSLTR2 (0.51) CYSLTR2CYSLTR1GPR35
SCHEMBL6961317 0.88 CYSLTR2 (0.51) CYSLTR2CYSLTR1GPR35
SCHEMBL6957574 0.85 CYSLTR2 (0.50) CYSLTR2CYSLTR1GPR35
SCHEMBL8163608 0.84 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL9551221 0.84 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL8163406 0.84 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL8163046 0.84 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL6961430 0.84 GPR35 (0.56) CYSLTR2CYSLTR1GPR35

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed